SCHEMBL2946795

SCHEMBL2946795

O=C(O)c1cc2c(CO)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 1/20 0.41
PTGER1 P34995 3/20 0.39
FSCN1 Q16658 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
PPARG P37231 2/20 0.38
KMO O15229 1/20 0.38
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
NTRK1 P04629 1/20 0.36
HDAC1 Q13547 1/20 0.36
CHRM1 P11229 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2949469 0.88 FSCN1 (0.42) FSCN1PPARGNTRK1HDAC1
SCHEMBL2945388 0.87 PTGER1 (0.39) ALKBH1PTGER1FSCN1PTGDR2PPARG
SCHEMBL2945282 0.86 FSCN1 (0.41) ALKBH1FSCN1PTGDR2PPARGGPBAR1
SCHEMBL2946889 0.86 FSCN1 (0.42) ALKBH1FSCN1PTGDR2PPARG
SCHEMBL2945342 0.86 PTGER1 (0.42) ALKBH1PTGER1FSCN1PTGDR2PPARG
SCHEMBL2943369 0.86 CNR2 (0.43) PTGER1FSCN1PTGDR2
SCHEMBL4806357 0.84 HTR6 (0.45) FSCN1
SCHEMBL4805917 0.83 PTGER1 (0.40) ALKBH1PTGER1FSCN1PTGDR2PPARG
SCHEMBL5527630 0.82 DDR1 (0.36) ALKBH1PTGER1FSCN1PTGDR2PPARG
SCHEMBL4932344 0.80 HDAC6 (0.42) FSCN1PTGDR2PPARGNTRK1HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB ALKBH1 948/4885PTGER1 550/4885FSCN1 4789/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB ALKBH1 907/4885PTGER1 891/4885FSCN1 4800/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB ALKBH1 1206/4885PTGER1 888/4885FSCN1 4791/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.